AG0051ER

80793-25-5 | 3-(4-Bromophenyl)propionaldehyde

AG0051ER

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CAS Number	80793-25-5
Catalog Number	AG0051ER(AGN-PC-009YZ2)
Chemical Name	3-(4-Bromophenyl)propionaldehyde
IUPAC Name	3-(4-bromophenyl)propanal
InChI	InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
InChI Key	RXZJWVPNFPPSEM-UHFFFAOYSA-N
MDL Number	MFCD07772913
Molecular Formula	C9H9BrO
Molecular Weight	213.0712
SMILES	O=CCCC1=CC=C(Br)C=C1
Synonyms	3-(4-bromophenyl)propanal, 80793-25-5, 3-(4-BROMOPHENYL)PROPIONALDEHYDE, 3-(4-BROMO-PHENYL)-PROPIONALDEHYDE, 4-Bromophenylpropanal, 4-Bromobenzenepropanal, Benzenepropanal,4-broMo-, SCHEMBL98013, CTK3E7894, DTXSID90467249, BENZENEPROPANAL, 4-BROMO-, RXZJWVPNFPPSEM-UHFFFAOYSA-N, 3-(4'-Bromophenyl)propionaldehyde, CS-B0694, 2565AC, MFCD07772913, ZINC19682858, AKOS010078901, AB42279, RP26735, RTR-025495, AJ-74195, AK117558, AN-36354, AS-31214, ST2410359, TR-025495, 4CH-016440, A9964, FT-0650384, 793B255, I01-8954, J-510664, 2-Hydroxybenzamidine, C9H9BrO, 3- -PROPIONALDEHYDE, CID11481288,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.074g/mol
Monoisotopic Mass	211.984g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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